Chemical Properties of myo-Inositol-1-phosphate, TMS

InChI

InChI=1S/C27H69O9PSi7/c1-38(2,3)30-23-22(29-37(28,35-43(16,17)18)36-44(19,20)21)24(31-39(4,5)6)26(33-41(10,11)12)27(34-42(13,14)15)25(23)32-40(7,8)9/h22-27H,1-21H3/t22-,23-,24-,25+,26-,27-/m0/s1

InChI Key

WOZUKLPEHGPIJE-QZQCWTALSA-N

Formula

C27H69O9PSi7

SMILES

C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C

Molecular Weight¹

765.40

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9745		Relay (... Calculated Property
ΔfG°	-767.90	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-2539.93	kJ/mol	Relay (... Calculated Property
ΔvapH°	91.95	kJ/mol	Relay (... Calculated Property
IE	9.30	eV	Relay (... Calculated Property
log10WS	-5.04		Relay (... Calculated Property
logPoct/wat	9.297		Crippen Calculated Property
Pc	-1145.37	kPa	Relay (... Calculated Property ⚠️
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST
Tboil	701.95	K	Relay (... Calculated Property
Tc	842.49	K	Relay (... Calculated Property
Tfus	305.82	K	Relay (... Calculated Property
Vc	2.491	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to myo-Inositol-1-phosphate, TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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